Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

InChI	InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
SMILES	OC[C@@H](C(=O)O)N
InChI Key	MTCFGRXMJLQNBG-REOHCLBHSA-N
Exact Mass	105.093 g/mol

Data and Resources

Field	Value
DOI	10.14272/MTCFGRXMJLQNBG-REOHCLBHSA-N/CHMO0001150
License URL
Source	https://www.chemotion-repository.net/inchikey/MTCFGRXMJLQNBG-REOHCLBHSA-N/CHMO0001150
Version
Author	Jana Alpin
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:33:40.352111
MetadataModified	2024-09-23T09:26:41.635648
MetadataPublished	2024-08-26

Field	Value
Measurement Technique	1H–1H correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : JAL-CCP-1826-D2O date : 20240725 starting time : 1.01 h instrument : spect label : CCP-1725 id : 138963 Solvent : D2O

Data-Source Molecule ID	Data-Source
C00065	KEGG Ligand
DB00133	DrugBank
CHEMBL11298	ChEMBL
726	Guide to Pharmacology
33384	ChEBI
17115	ChEBI
SER	PDBe
SERINE	DailyMed
SERINE	clinicaltrials
LSERIN	CCDC
MCULE-5604658333	Mcule
J1.195I	Nikkaji
SCHEMBL1775	SureChEMBL
4127	DrugCentral
L-SERINE	clinicaltrials
ZINC000000895034	ZINC
SERINE	rxnorm
60006048	NMRShiftDB
HY-N0650	MedChemExpress
262	Brenda
35658	Brenda
HMDB0000187	Human Metabolome Database
33384	Rhea
CB5673304	ChemicalBook
DTXSID60883230	EPA CompTox Dashboard
serine	DailyMed
50357212	BindingDB
MTBLC33384	Metabolights
MTBLC17115	Metabolights
PA451330	PharmGKB
95	Brenda
145040	Brenda
145952	Brenda
930	Brenda
870	Brenda
PD010212	ProbesDrugs
452VLY9402	FDA SRS
ser_L	Recon
15119722	PubChem: Thomson Pharma
16532479	PubChem: Thomson Pharma
25821-52-7	ACToR
6857581	PubChem
5951	PubChem
MCULE-6118038121	Mcule
514205	eMolecules
The data in this table is sourced from UniChem at EBI.